6XWE

Crystal structure of LYK3 ectodomain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 21 2 21
Unit cell lengths	44.210, 53.530, 95.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.080 - 1.490
R-factor	0.1459
Rwork	0.144
R-free	0.18050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6eby
RMSD bond length	0.007
RMSD bond angle	1.181
Data reduction software	XDS (Jan 31, 2020)
Data scaling software	XSCALE (Jan 31, 2020)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.082	1.543
High resolution limit [Å]	1.490	1.490
Rmerge	0.085	0.937
Rmeas	0.091	1.010
Rpim	0.034	0.375
Number of reflections	37595	3712
<I/σ(I)>	18.5	2.35
Completeness [%]	99.9	99.81
Redundancy	7.2	7.2
CC(1/2)	0.999	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.1 M Bis-Tris pH 6.5 0.2 M ammonium sulphate 31% PEG-3350 450 uM Sinorhizobium meliloti Nod factor (LCO-IV,Ac,C16:2,S) 2.25% (v/v) acetonitrile